SCHEMBL4984045

SCHEMBL4984045

COc1ccc(OC)c(C(C)CC(CN)C(=O)O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
LDHA P00338 1/20 0.37
GRIK3 Q13003 1/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
KMT2A Q03164 1/20 0.36
STING1 Q86WV6 1/20 0.35
ACHE P22303 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4994223 0.88 KDM4E (0.40) KDM4EHSD17B10MAPTTDP1GRIK1
SCHEMBL4991190 0.87 KMT2A (0.43) KDM4EGRIK1GRIK2GRIK3PPARD
SCHEMBL4994045 0.86 AOC3 (0.44) KDM4EHSD17B10MAPTTDP1GRIK1
SCHEMBL4985810 0.85 STING1 (0.38) KDM4EHSD17B10MAPTTDP1GRIK1
SCHEMBL4989530 0.82 ALDH1A1 (0.40) KDM4EHSD17B10MAPTGRIK1GRIK2
SCHEMBL4992642 0.80 USP2 (0.39) GRIK1GRIK2STING1ADRA2AADRA1A
SCHEMBL4989946 0.80 KDM4E (0.40) KDM4EHSD17B10MAPTTDP1GRIK1
SCHEMBL4987801 0.79 ACHE (0.52) GRIK1GRIK2LDHAPPARDPPARA
SCHEMBL4981696 0.79 HSD17B10 (0.39) KDM4EHSD17B10PPARDPPARAALDH1A1
SCHEMBL4986463 0.79 AOC3 (0.42) KDM4EHSD17B10MAPTTDP1GRIK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 KDM4E 3870/4885HSD17B10 3555/4885MAPT 908/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KDM4E 3684/4885HSD17B10 3359/4885MAPT 745/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KDM4E 3950/4885HSD17B10 3509/4885MAPT 1029/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.